Mixture of Butanoic acid + Pentanedioic acid, diethyl ester + Water

Name: Butanoic acid
InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key: FERIUCNNQQJTOY-UHFFFAOYSA-N
Formula: C4H8O2
SMILES: CCCC(=O)O
Mol. Weight (g/mol): 88.11
CAS: 107-92-6

Name: Pentanedioic acid, diethyl ester
InChI: InChI=1S/C9H16O4/c1-3-12-8(10)6-5-7-9(11)13-4-2/h3-7H2,1-2H3
InChI Key: OUWSNHWQZPEFEX-UHFFFAOYSA-N
Formula: C9H16O4
SMILES: CCOC(=O)CCCC(=O)OCC
Mol. Weight (g/mol): 188.22
CAS: 818-38-2

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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Datasets

Mass fraction (4)

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.325 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Butanoic acid (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Butanoic acid (1) - Liquid mixture 2
0.9779	0.0211	0.0330	0.0445
0.9317	0.0665	0.0799	0.1725
0.9056	0.0924	0.0649	0.3011
0.8979	0.1000	0.0923	0.3560
0.8321	0.1622	0.1230	0.4279

Mass fraction of Pentanedioic acid, diethyl ester (2) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 298.15 (Liquid)

Mass fraction of Water (3) - Liquid	Mass fraction of Pentanedioic acid, diethyl ester (2) - Liquid
0.0250	0.9750
0.0406	0.9155
0.0650	0.7802
0.0712	0.7357
0.0774	0.6491
0.0927	0.5426
0.1005	0.4643
0.1251	0.3763
0.2154	0.2060
0.4303	0.0462
0.6070	0.0190
0.7082	0.0142
0.7747	0.0081
0.8357	0.0039
0.8948	0.0023
0.9410	0.0013
0.9990	0.0010

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.325 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Butanoic acid (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Butanoic acid (1) - Liquid mixture 2
0.9779	0.0211	0.0330	0.0445
0.9317	0.0665	0.0799	0.1725
0.9056	0.0924	0.0649	0.3011
0.8979	0.1000	0.0923	0.3560
0.8321	0.1622	0.1230	0.4279

Mass fraction of Pentanedioic acid, diethyl ester (2) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid)
Temperature, K = 298.15 (Liquid)

Mass fraction of Water (3) - Liquid	Mass fraction of Pentanedioic acid, diethyl ester (2) - Liquid
0.0250	0.9750
0.0406	0.9155
0.0650	0.7802
0.0712	0.7357
0.0774	0.6491
0.0927	0.5426
0.1005	0.4643
0.1251	0.3763
0.2154	0.2060
0.4303	0.0462
0.6070	0.0190
0.7082	0.0142
0.7747	0.0081
0.8357	0.0039
0.8948	0.0023
0.9410	0.0013
0.9990	0.0010

Sources

Liquid-liquid equilibria of (water + butyric acid + diethyl succinate or diethyl glutarate or diethyl adipate) ternary systems